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The function of ethanol and Brønsted acid for the dehydration-etherification of fructose to 5-ethoxymethylfurfural (EMF) has been theoretically investigated at G4 level in ethanol solution. Initially, fructose prefers to dehydration other than etherification with ethanol in the presence of Brønsted acid. The proton H+ should be solvated on ethanol other than fructose, resulting in [C2H5OH2]+ as the...
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